SCHEMBL7978778

SCHEMBL7978778

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1ccc(N)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.60
ERBB2 P04626 1/20 0.60
RET P07949 6/20 0.60
BRAF P15056 4/20 0.55
RAF1 P04049 3/20 0.55
KDR P35968 4/20 0.49
KIF5B P33176 1/20 0.49
CLK1 P49759 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
FLT1 P17948 2/20 0.47
LCK P06239 1/20 0.47
GAK O14976 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
FLT3 P36888 1/20 0.46
JAK3 P52333 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
SLK Q9H2G2 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7980714 0.90 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7980461 0.90 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7966337 0.86 RET (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7978607 0.86 EGFR (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7966847 0.85 RET (0.59) EGFRERBB2RETBRAFRAF1
SCHEMBL7982980 0.84 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL8561433 0.84 RET (0.83) EGFRERBB2RETKDRKIF5B
SCHEMBL7980372 0.83 EGFR (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7978595 0.83 EGFR (0.62) EGFRERBB2RETBRAFRAF1
Hydrochloric Acid SCHEMBL8904802 0.83 RET (0.81) EGFRERBB2RETKDRKIF5B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed